SCHEMBL9688855

SCHEMBL9688855

O=C(NCCc1c2n(c3ccccc13)C(=O)CCC2)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
GAA P10253 2/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPK8 P45983 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
RECQL P46063 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9687548 0.89 NPC1 (0.48) RAB9ANPC1GAAHDAC1HDAC6
SCHEMBL9687497 0.89 NAMPT (0.43) GAAHDAC1HDAC6KMT2AALDH1A1
Hydrochloric Acid SCHEMBL10377827 0.88 NPC1 (0.48) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL9688606 0.87 NPC1 (0.44) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL9688571 0.87 NPC1 (0.52) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL9689157 0.86 NPC1 (0.51) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL9687727 0.86 NAMPT (0.46) RAB9ANPC1GAAHDAC1MEN1
SCHEMBL9687884 0.85 ALDH1A1 (0.53) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL10377571 0.85 NPC1 (0.43) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL10377756 0.85 NPC1 (0.48) RAB9ANPC1GAAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279125-B1 TETRAHYDROPYRIDO(1,2-A)INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM - WUELFING GmbH & Co. KG (DE) 1992-04-29 EP claimed
EP-0167901-B1 ACTIVE COMPOUNDS LES LABORATOIRES BEECHAM S.A. (FR) 1990-04-04 EP claimed
EP-0167901-A2 Active compounds LES LABORATOIRES BEECHAM S.A. (FR) 1986-01-15 EP claimed
EP-0167901-B1 ACTIVE COMPOUNDS LES LABORATOIRES BEECHAM S.A. (FR) 1990-04-04 EP disclosed
US-4853391-A Pyrido[1,2-a]indoles and their use as cardiovascular LABORATOIRES SOBIO SA, 13-15-25 BOULEVARD DE 1'AMIRAL BRUIX 75782 PARIS, CEDEX 16, FRANCE 1989-08-01 US disclosed